2-[[2-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide

Systemtic Name: 2-[[2-[(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)sulfonylmethyl]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide Openeye Name: 2-[[2-benzyl-3-(4-methyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-propanoyl]amino]-4-methylsulfanyl-butanamide CAS Name: 2-[[2-[(4-methyl-4-oxido-1-piperazin-4-iumyl)sulfonylmethyl]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanamide IUPAC Name: 2-[[2-benzyl-3-(4-methyl-4-oxidopiperazin-4-ium-1-yl)sulfonylpropanoyl]amino]-4-methylsulfanylbutanamide Traditional Name: 2-[[2-benzyl-3-(4-methyl-4-oxido-piperazin-4-ium-1-yl)sulfonyl-propanoyl]amino]-4-(methylthio)butyramide Formula: C20H32N4O5S2 MolecularWeight: 472.62188

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NC(CCSC)C(=O)N)[O-]

InChI

InChI=1S/C20H32N4O5S2/c1-24(27)11-9-23(10-12-24)31(28,29)15-17(14-16-6-4-3-5-7-16)20(26)22-18(19(21)25)8-13-30-2/h3-7,17-18H,8-15H2,1-2H3,(H2,21,25)(H,22,26)